REMARK Name = BDB055277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.496 0.538 -0.782 0.00 0.00 +0.041 A ATOM 2 C LIG 1 -0.910 -0.764 -0.415 0.00 0.00 -0.004 A ATOM 3 C LIG 1 0.043 -1.773 -0.213 0.00 0.00 +0.010 A ATOM 4 C LIG 1 1.402 -1.508 -0.372 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.830 -0.225 -0.725 0.00 0.00 -0.032 A ATOM 6 C LIG 1 0.874 0.788 -0.923 0.00 0.00 +0.028 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.322 2.842 -1.410 0.00 0.00 +0.255 C ATOM 8 N LIG 1 -1.481 1.538 -0.972 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.439 1.239 -0.850 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -0.256 3.330 -1.773 0.00 0.00 -0.269 OA BRANCH 7 13 ATOM 11 C LIG 1 -3.743 2.862 0.741 0.00 0.00 +0.045 C ATOM 12 C LIG 1 -3.651 3.608 -0.552 0.00 0.00 -0.031 A ATOM 13 C LIG 1 -2.580 3.593 -1.443 0.00 0.00 +0.077 A ATOM 14 S LIG 1 -2.834 4.662 -2.763 0.00 0.00 -0.092 S ATOM 15 C LIG 1 -4.382 5.102 -2.204 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -4.696 4.476 -1.021 0.00 0.00 +0.011 A ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 2 17 ATOM 17 C LIG 1 -2.319 -1.135 -0.206 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -3.189 -1.234 -1.224 0.00 0.00 +0.031 C BRANCH 18 19 ATOM 19 C LIG 1 -4.586 -1.527 -1.111 0.00 0.00 +0.093 A ATOM 20 C LIG 1 -5.223 -2.408 -0.183 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -6.579 -2.320 -0.485 0.00 0.00 +0.066 A ATOM 22 C LIG 1 -7.569 -3.030 0.203 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -7.148 -3.870 1.238 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -5.798 -3.995 1.559 0.00 0.00 +0.001 A ATOM 25 N LIG 1 -6.657 -1.448 -1.535 0.00 0.00 -0.276 N ATOM 26 H LIG 1 -7.491 -1.149 -2.027 0.00 0.00 +0.189 HD ATOM 27 C LIG 1 -4.824 -3.274 0.856 0.00 0.00 +0.012 A ATOM 28 N LIG 1 -5.475 -0.959 -1.938 0.00 0.00 -0.173 NA ENDBRANCH 18 19 ENDBRANCH 2 17 BRANCH 5 29 ATOM 29 C LIG 1 3.304 0.082 -0.890 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 3.816 1.013 0.127 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 3.857 0.432 1.484 0.00 0.00 +0.103 C ATOM 32 C LIG 1 4.927 -0.654 1.689 0.00 0.00 +0.123 C ATOM 33 N LIG 1 6.254 -0.254 1.212 0.00 0.00 -0.297 N ATOM 34 C LIG 1 7.344 -0.957 1.711 0.00 0.00 +0.241 C ATOM 35 O LIG 1 7.249 -1.776 2.630 0.00 0.00 -0.273 OA ATOM 36 C LIG 1 6.289 0.457 -0.071 0.00 0.00 +0.123 C ATOM 37 C LIG 1 5.165 1.501 -0.216 0.00 0.00 +0.103 C BRANCH 34 38 ATOM 38 C LIG 1 8.722 -0.675 1.099 0.00 0.00 +0.251 C BRANCH 38 39 ATOM 39 O LIG 1 9.735 -1.493 1.673 0.00 0.00 -0.386 OA ATOM 40 H LIG 1 9.314 -1.937 2.438 0.00 0.00 +0.210 HD ENDBRANCH 38 39 ENDBRANCH 34 38 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8